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Sugi Predict / Compounds / SCHEMBL9754517

SCHEMBL9754517

SCHEMBL9754517

COC(=O)c1cccc(CF)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.54
▸ CDK1 P06493 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ CYP1A2 P05177 1/20 0.40
▸ KMT2A Q03164 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9523882 0.89 GAA (0.42) GAACDK1KMT2A
SCHEMBL9523206 0.87 GAA (0.46) GAACDK1MAPTTP53GLA
SCHEMBL9754346 0.83 GAA (0.46) GAACDK1MAPTTP53GLA
SCHEMBL9754529 0.83 GAA (0.53) GAACDK1MAPTTP53GLA
SCHEMBL9522740 0.82 GAA (0.45) GAACDK1MAPTTP53GLA
SCHEMBL9522860 0.82 GAA (0.44) GAACDK1MAPTTP53GLA
SCHEMBL9522741 0.82 GAA (0.44) GAACDK1MAPTTP53GLA
SCHEMBL7456581 0.81 GAA (0.49) GAACDK1MAPTTP53GLA
SCHEMBL10984018 0.80 GAA (0.60) GAACDK1MAPTTP53GLA
SCHEMBL8633790 0.80 GAA (0.49) GAACDK1MAPTTP53GLA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991015478-A1 CROP-SELECTIVE HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-17 — — WO claimed
WO-1991015478-A1 CROP-SELECTIVE HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-17 — — WO disclosed